SCHEMBL20201050

SCHEMBL20201050

COc1ncnc(OC)c1-n1c(N[S+]([O-])CCc2ccc(C)cc2)nnc1-c1ccco1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
APLNR P35414 19/20 0.58
TSHR P16473 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20200535 0.78 APLNR (0.62) APLNR
SCHEMBL22810385 0.77 APLNR (0.67) APLNR
SCHEMBL20200841 0.75 APLNR (0.58) APLNR
SCHEMBL22810475 0.75 APLNR (0.70) APLNR
SCHEMBL20200299 0.74 APLNR (0.68) APLNR
SCHEMBL20200182 0.74 APLNR (0.62) APLNR
SCHEMBL20189404 0.74 APLNR (1.00) APLNR
SCHEMBL20190589 0.73 APLNR (0.52) APLNRTSHR
SCHEMBL22810467 0.73 APLNR (0.44) APLNRTSHR
SCHEMBL22810369 0.72 APLNR (0.70) APLNR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018097944-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-31 WO disclosed